2-azanyl-9-[5-ethynyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-ethynyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-(5-ethynyl-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C12H13N5O5 MolecularWeight: 307.26212

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O)CO

Isomeric SMILES

C#CC1(C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O)CO

InChI

InChI=1S/C12H13N5O5/c1-2-12(3-18)7(20)6(19)10(22-12)17-4-14-5-8(17)15-11(13)16-9(5)21/h1,4,6-7,10,18-20H,3H2,(H3,13,15,16,21)